# generated using pymatgen data_Hf9PW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66119100 _cell_length_b 8.66591783 _cell_length_c 8.66591783 _cell_angle_alpha 120.07403901 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9PW4 _chemical_formula_sum 'Hf18 P2 W8' _cell_volume 562.87619900 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.54859500 0.80312900 0.60619400 1.0 Hf Hf1 1 0.54866800 0.80293900 0.19706100 1.0 Hf Hf2 1 0.54859500 0.39380600 0.19687100 1.0 Hf Hf3 1 0.45140500 0.19687100 0.39380600 1.0 Hf Hf4 1 0.45133200 0.19706100 0.80293900 1.0 Hf Hf5 1 0.45140500 0.60619400 0.80312900 1.0 Hf Hf6 1 0.04859500 0.19687100 0.39380600 1.0 Hf Hf7 1 0.04866800 0.19706100 0.80293900 1.0 Hf Hf8 1 0.04859500 0.60619400 0.80312900 1.0 Hf Hf9 1 0.95140500 0.80312900 0.60619400 1.0 Hf Hf10 1 0.95133200 0.80293900 0.19706100 1.0 Hf Hf11 1 0.95140500 0.39380600 0.19687100 1.0 Hf Hf12 1 0.75000000 0.46067700 0.92150600 1.0 Hf Hf13 1 0.75000000 0.46080600 0.53919400 1.0 Hf Hf14 1 0.75000000 0.07849400 0.53932300 1.0 Hf Hf15 1 0.25000000 0.53932300 0.07849400 1.0 Hf Hf16 1 0.25000000 0.53919400 0.46080600 1.0 Hf Hf17 1 0.25000000 0.92150600 0.46067700 1.0 P P18 1 0.75000000 0.66666600 0.33333400 1.0 P P19 1 0.25000000 0.33333400 0.66666600 1.0 W W20 1 0.75000000 0.11044200 0.22109100 1.0 W W21 1 0.75000000 0.11063900 0.88936100 1.0 W W22 1 0.75000000 0.77890900 0.88955800 1.0 W W23 1 0.25000000 0.88955800 0.77890900 1.0 W W24 1 0.25000000 0.88936100 0.11063900 1.0 W W25 1 0.25000000 0.22109100 0.11044200 1.0 W W26 1 0.50000000 0.00000000 0.00000000 1.0 W W27 1 0.00000000 0.00000000 0.00000000 1.0